Subject: CC semantics

From: "Lestaw K. Bieniasz" <[email-masked]>
Date: Fri, 20 Jun 1997 09:35:11 +0200 (W. Europe Daylight Time)

Tuebingen, 20.06.97

Dear Drs. Buyong Ma and Prem Yadav,

I wonder how you would classify the following types of evidently
chemical and computational research:

1) computer modelling of combustion phenomena (hundreds of species and
reactions, highly nonlinear systems of ODEs or PDEs, intractable by
analytical approaches),

2) computer modelling of spatio-temporal nonlinear dynamic effects in
chemical reaction-diffusion systems by cellular automata methods,

3) computer modelling of electrochemical microelectrode assemblies in two
or three-dimensional geometry (complex PDE systems with sophisticated 
boundary conditions, over non-trivial space domains.

4) investigations of the chemical inference rules for automating 
analytical chemistry measurement systems, and their practical
implementation in the form of expert systems.

None of these examples is molecular modelling, but I daresay all of them
are computational chemistry.

Sincerely,

					L.Bieniasz

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|                        Dr. Leslaw Bieniasz                        |
| temporary address: (3rd April 1997 - 31st August 1997)            |
|       Institut fuer Organische Chemie, Universitaet Tuebingen     |
|          Auf der Morgenstelle 18, 72076 Tuebingen, Germany.       |
|              E-mail: [email-masked]           |
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| permanent address:                                                |
| Institute of Physical Chemistry of the Polish Academy of Sciences,| 
| Molten Salts Laboratory, ul. Zagrody 13, 30-318 Cracow, Poland.   | 
|                   E-mail:  [email-masked]                 |
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